| SpectraBase Compound ID | B5AHbyuVf4P |
|---|---|
| InChI | InChI=1S/C9H12O4/c1-12-6(10)9(7(11)13-2)5-8(9)3-4-8/h3-5H2,1-2H3 |
| InChIKey | VFUNNELCOMOUTM-UHFFFAOYSA-N |
| Mol Weight | 184.19 g/mol |
| Molecular Formula | C9H12O4 |
| Exact Mass | 184.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2EdhXDNQC8n |
|---|---|
| Name | Dimethyl spiropentane-1,1-dicarboxylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.073558862 u |
| Formula | C9H12O4 |
| InChI | InChI=1S/C9H12O4/c1-12-6(10)9(7(11)13-2)5-8(9)3-4-8/h3-5H2,1-2H3 |
| InChIKey | VFUNNELCOMOUTM-UHFFFAOYSA-N |
| Molecular Weight | 184.191 g/mol |
| SMILES | C1(C2(CC2)C1)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98289 |